Computational Materials Science and Process Simulation (CMP)

Numerische Methoden in den Werkstoffwissenschaften - Atomistische Methoden [NumWW] Dozent/in: Erik Bitzek Angaben: Vorlesung mit Übung, 4 SWS, ECTS: 3, nur Fachstudium Termine: Vorbesprechung 06.05. 13:15-14:00 Uhr per zoom; For more information see studon: https://www.studon.fau.de/crs2202381.html Studienrichtungen / Studienfächer: PF MAP-S-CMP 2 Voraussetzungen / Organisatorisches: This lecture will be taught in English. Prerequisites: active account for the CIP Pool WW (available at the Geschäftsstelle WW) working knowledge of the Linux-operating system, will be examined in the first lecture. Inhalt: The aim of the course is to build the theoretical basis required to perform and analyze cutting-edge atomistic simulations in materials science, and to provide the students with a "computational toolbox” for the most common tasks in atomistic modeling. The focus of this course lies on direct hands-on teaching. The students will work on multiple little projects related to current research topics. This will enable the students to independently perform simulations using classical MD codes like IMD and QuantumEspresso for DFT calculations. Empfohlene Literatur: Tadmor, Miller, Modeling Materials: Continuum, Atomistic and Multiscale Techniques, Cambridge University Press (January 16, 2012) Further information on literature will be provided in the course. Schlagwörter: Numerical Methods in Material Science